(24Z,27Z,30Z,33Z)-N-[(4E,8E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxyhenicosa-4,8-dien-2-yl]hexatriaconta-24,27,30,33-tetraenamide

C69H123NO13 — CID 165249590

About (24Z,27Z,30Z,33Z)-N-[(4E,8E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxyhenicosa-4,8-dien-2-yl]hexatriaconta-24,27,30,33-tetraenamide

(24Z,27Z,30Z,33Z)-N-[(4E,8E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxyhenicosa-4,8-dien-2-yl]hexatriaconta-24,27,30,33-tetraenamide (PubChem CID 165249590) has the molecular formula C69H123NO13 and a molecular weight of 1174.74 g/mol. Its IUPAC name is (24Z,27Z,30Z,33Z)-N-[(4E,8E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxyhenicosa-4,8-dien-2-yl]hexatriaconta-24,27,30,33-tetraenamide.

Molecular Properties

• Compound Name: (24Z,27Z,30Z,33Z)-N-[(4E,8E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxyhenicosa-4,8-dien-2-yl]hexatriaconta-24,27,30,33-tetraenamide
• PubChem CID: 165249590
• Molecular Formula: C69H123NO13
• Molecular Weight: 1174.74 g/mol
• Exact Mass: 1173.90
• IUPAC Name: (24Z,27Z,30Z,33Z)-N-[(4E,8E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxyhenicosa-4,8-dien-2-yl]hexatriaconta-24,27,30,33-tetraenamide
• SMILES: CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCCCCC(=O)NC(COC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O)C(O)/C=C/CC/C=C/CCCCCCCCCCCC
• InChI: InChI=1S/C69H123NO13/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-39-41-43-45-47-49-51-53-61(74)70-57(58(73)52-50-48-46-44-42-40-38-20-18-16-14-12-10-8-6-4-2)56-80-68-66(79)64(77)67(60(55-72)82-68)83-69-65(78)63(76)62(75)59(54-71)81-69/h5,7,11,13,17,19,22-23,42,44,50,52,57-60,62-69,71-73,75-79H,3-4,6,8-10,12,14-16,18,20-21,24-41,43,45-49,51,53-56H2,1-2H3,(H,70,74)/b7-5-,13-11-,19-17-,23-22-,44-42+,52-50+
• InChIKey: LNUHNRKOUGGIES-VMKZXBLKSA-N
• XLogP: 13.06
• TPSA: 227.86 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 13
• Rotatable Bonds: 54
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1174.74
LogP ≤ 5	13.06
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (24Z,27Z,30Z,33Z)-N-[(4E,8E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxyhenicosa-4,8-dien-2-yl]hexatriaconta-24,27,30,33-tetraenamide?

The IUPAC name of (24Z,27Z,30Z,33Z)-N-[(4E,8E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxyhenicosa-4,8-dien-2-yl]hexatriaconta-24,27,30,33-tetraenamide (CID 165249590) is (24Z,27Z,30Z,33Z)-N-[(4E,8E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxyhenicosa-4,8-dien-2-yl]hexatriaconta-24,27,30,33-tetraenamide.

What is the SMILES notation for (24Z,27Z,30Z,33Z)-N-[(4E,8E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxyhenicosa-4,8-dien-2-yl]hexatriaconta-24,27,30,33-tetraenamide?

The canonical SMILES for (24Z,27Z,30Z,33Z)-N-[(4E,8E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxyhenicosa-4,8-dien-2-yl]hexatriaconta-24,27,30,33-tetraenamide is CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCCCCC(=O)NC(COC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O)C(O)/C=C/CC/C=C/CCCCCCCCCCCC.

What is the InChIKey of (24Z,27Z,30Z,33Z)-N-[(4E,8E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxyhenicosa-4,8-dien-2-yl]hexatriaconta-24,27,30,33-tetraenamide?

The InChIKey is LNUHNRKOUGGIES-VMKZXBLKSA-N. The full InChI is InChI=1S/C69H123NO13/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-39-41-43-45-47-49-51-53-61(74)70-57(58(73)52-50-48-46-44-42-40-38-20-18-16-14-12-10-8-6-4-2)56-80-68-66(79)64(77)67(60(55-72)82-68)83-69-65(78)63(76)62(75)59(54-71)81-69/h5,7,11,13,17,19,22-23,42,44,50,52,57-60,62-69,71-73,75-79H,3-4,6,8-10,12,14-16,18,20-21,24-41,43,45-49,51,53-56H2,1-2H3,(H,70,74)/b7-5-,13-11-,19-17-,23-22-,44-42+,52-50+.

What are the key properties of (24Z,27Z,30Z,33Z)-N-[(4E,8E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxyhenicosa-4,8-dien-2-yl]hexatriaconta-24,27,30,33-tetraenamide?

(24Z,27Z,30Z,33Z)-N-[(4E,8E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxyhenicosa-4,8-dien-2-yl]hexatriaconta-24,27,30,33-tetraenamide has a molecular weight of 1174.74 g/mol, XLogP of 13.06, 54 rotatable bonds, 9 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for (24Z,27Z,30Z,33Z)-N-[(4E,8E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxyhenicosa-4,8-dien-2-yl]hexatriaconta-24,27,30,33-tetraenamide is sourced from PubChem (CID 165249590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).